Objective: In-silico assessment analysis of Protein database entries of the Pf. lactate dehydrogenase (PfLDH) enzyme, considered as an important target for designing of anti-malarial drugs.
Methods: PDB structures of the enzyme Pf. lactate dehydrogenase were downloaded from Protein Data Bank. These were subjected to ANOLEA energy assessment analysis and Swiss model was used to analyse Ramachandran plot.
Results: The energy assessment analysis and analysis of Ramachandran plot were carried out successfully.
Conclusion: Out of all the PDB entries PBD 1T24 was found to be the best and it can further be utilized for structure based drug design studies.
In-silico Virtual Screening and Docking have become a very important part for the rapid design …show more content…
The last 15 years have observed only 37% fall in malarial incidence rates. In year 2015, 214 million new cases of malaria and 438 thousand malarial deaths were reported worldwide. The major regions of the world that accounts for maximum malarial cases are the African Region (88%), the South-East Asia Region (10%) and the Eastern Mediterranean Region (2%) 3. The biggest hurdle in control of malarial incidences in maximum countries is the rapid development and expansion of insecticide and anti-malarial drug …show more content…
falciparum Lactate Dehydrogenase (1T2D, 1T24, 1U4O, 1U5A, 1XIV, 2A94 and 4B7U) is presented in Table 2. The table show the total number of high energy amino acids, total non-local energy (E/Kt units) and Non–Local Normalized Energy Z-score for the seven selected PDB entries. It reflects that PDB ID 1T24 has only 1 high energy amino acid out of 304 amino acids and has a total non-local energy of -2722 E/kt units with second lowest non-local normalised energy Z-Score of -0.81. The PDB ID 1U4O has lowest total non-local energy and lowest non-local normalised energy Z-Score of -2598 E/kt units and -0.7613 respectively, but, has 13 high energy amino acids out of 304 amino acids. Henceforth, the assessment reveals that chain A of 1T24 is more stable in terms of lowest number of high energy amino acids [1/304 (0.33%)], low total non- local energy (-2722 E/kt units) and second lowest non-local normalized energy Z-score (-0.81) as the compared to the chain A’s of other
Methods: PDB structures of the enzyme Pf. lactate dehydrogenase were downloaded from Protein Data Bank. These were subjected to ANOLEA energy assessment analysis and Swiss model was used to analyse Ramachandran plot.
Results: The energy assessment analysis and analysis of Ramachandran plot were carried out successfully.
Conclusion: Out of all the PDB entries PBD 1T24 was found to be the best and it can further be utilized for structure based drug design studies.
In-silico Virtual Screening and Docking have become a very important part for the rapid design …show more content…
The last 15 years have observed only 37% fall in malarial incidence rates. In year 2015, 214 million new cases of malaria and 438 thousand malarial deaths were reported worldwide. The major regions of the world that accounts for maximum malarial cases are the African Region (88%), the South-East Asia Region (10%) and the Eastern Mediterranean Region (2%) 3. The biggest hurdle in control of malarial incidences in maximum countries is the rapid development and expansion of insecticide and anti-malarial drug …show more content…
falciparum Lactate Dehydrogenase (1T2D, 1T24, 1U4O, 1U5A, 1XIV, 2A94 and 4B7U) is presented in Table 2. The table show the total number of high energy amino acids, total non-local energy (E/Kt units) and Non–Local Normalized Energy Z-score for the seven selected PDB entries. It reflects that PDB ID 1T24 has only 1 high energy amino acid out of 304 amino acids and has a total non-local energy of -2722 E/kt units with second lowest non-local normalised energy Z-Score of -0.81. The PDB ID 1U4O has lowest total non-local energy and lowest non-local normalised energy Z-Score of -2598 E/kt units and -0.7613 respectively, but, has 13 high energy amino acids out of 304 amino acids. Henceforth, the assessment reveals that chain A of 1T24 is more stable in terms of lowest number of high energy amino acids [1/304 (0.33%)], low total non- local energy (-2722 E/kt units) and second lowest non-local normalized energy Z-score (-0.81) as the compared to the chain A’s of other